GitHub - Abdelrahman-Mohamed-Taha-MAHMOUD/S-DISCO: S-DISCO

Name		Name	Last commit message	Last commit date
Latest commit History 28 Commits
CAH2_1BCD_prep.mol2		CAH2_1BCD_prep.mol2
PS2_ligands.smi		PS2_ligands.smi
PS2_ligands_docked.sdf		PS2_ligands_docked.sdf
PS2_ligands_docked_bestposes.sdf		PS2_ligands_docked_bestposes.sdf
PS2_output.txt		PS2_output.txt
README		README
S_DISCO_2024_Integrated_Approaches.ipynb		S_DISCO_2024_Integrated_Approaches.ipynb
S_DISCO_2024_Protein_Modeling.ipynb		S_DISCO_2024_Protein_Modeling.ipynb
S_DISCO_2024_QSAR.ipynb		S_DISCO_2024_QSAR.ipynb
S_DISCO_Integrated_Approaches.ipynb		S_DISCO_Integrated_Approaches.ipynb
S_DISCO_Machine_Learning.ipynb		S_DISCO_Machine_Learning.ipynb
S_DISCO_Protein_Modeling.ipynb		S_DISCO_Protein_Modeling.ipynb
S_DISCO_QSAR.ipynb		S_DISCO_QSAR.ipynb
S_DISCO_Virtual_screening.ipynb		S_DISCO_Virtual_screening.ipynb
cah2_input_desc_noNA.pkl		cah2_input_desc_noNA.pkl
cah2_input_fps_noNA.zip		cah2_input_fps_noNA.zip
cah2_input_subset.pkl		cah2_input_subset.pkl
cah2_topredict_input_desc_noNA.pkl		cah2_topredict_input_desc_noNA.pkl
cah2_topredict_input_fps_noNA.pkl		cah2_topredict_input_fps_noNA.pkl
cah2_topredict_subset.pkl		cah2_topredict_subset.pkl
conf.txt		conf.txt
crystal_ligand.mol2		crystal_ligand.mol2
mols_gr_tosave.pkl		mols_gr_tosave.pkl
qsar_dict.pkl		qsar_dict.pkl
receptor.pdb		receptor.pdb
results_cah2_docking.pkl		results_cah2_docking.pkl
results_gr_sorted.pkl		results_gr_sorted.pkl

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Collection of Google Colab Notebooks used during the practical sessions of the Master S-DISCO (Sustainable Drug Discovery)

S-DISCO - Google Colab notebooks

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